SCHEMBL6570568

SCHEMBL6570568

C=CCOC(=O)Cl.CCN(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 4/20 0.43
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28113768 0.85 POLB (0.45) MEN1KMT2APOLBTSHRCYP3A4
SCHEMBL27546354 0.84 CYP3A4 (0.46) MEN1KMT2ATSHRCYP3A4TDP1
SCHEMBL37486 0.84
SCHEMBL27940391 0.83 MEN1 (0.44) MEN1KMT2APOLBTSHRCYP3A4
SCHEMBL7478595 0.82
Water SCHEMBL27610249 0.82
SCHEMBL28130290 0.80 MAPT (0.42) MEN1KMT2APOLBTSHRCYP3A4
SCHEMBL5476867 0.78 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL9683567 0.78 TSHR (0.50) MEN1KMT2APOLBTSHRCYP3A4
SCHEMBL27660417 0.77 MEN1 (0.32) MEN1KMT2APOLBTSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982334-B1 A process for producing polycondensable macromonomer COUNCIL SCIENT IND RES (IN) 2004-04-14 EP claimed
EP-0982334-A1 A process for producing polycondensable macromonomer Council of Scientific and Industrial Research (IN) 2000-03-01 EP claimed
US-6022930-A Process for producing polycondensable macromonomer COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2000-02-08 US claimed
US-6022930-A Process for producing polycondensable macromonomer COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2000-02-08 US disclosed
EP-0218423-B1 9-(Substituted thio)-4H-pyrido[1,2-a]pyrimidin-4-one derivatives, their manufacture and use SHIONOGI & CO., LTD. (JP) 1990-05-02 EP disclosed
US-4840953-A ANTIULCER AGENTS SHIONOGI & CO., LTD. (JP) 1989-06-20 US disclosed
EP-0218423-A2 9-(Substituted thio)-4H-pyrido[1,2-a]pyrimidin-4-one derivatives, their manufacture and use SHIONOGI & CO., LTD. (JP) 1987-04-15 EP disclosed